SCHEMBL28548618

SCHEMBL28548618

OC(CNCCCCc1ccccc1)COc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.52
ADRB2 P07550 6/20 0.52
ADRB1 P08588 5/20 0.52
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
ABCB1 P08183 2/20 0.45
CYP2D6 P10635 2/20 0.45
KCNK3 O14649 1/20 0.45
SLC22A1 O15245 1/20 0.45
ABCC9 O60706 1/20 0.45
KCNK2 O95069 1/20 0.45
ABCB11 O95342 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
MTOR P42345 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7297780 0.87 ADRB3 (0.68) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL7296273 0.86 ADRB3 (0.67) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL7285328 0.86 ADRB3 (0.67) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL7288262 0.83 ADRB3 (0.69) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL11242523 0.83 MC3R (0.57) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL21259413 0.81 ALDH1A1 (0.64) ADRB3ADRB2ADRB1LMNACYP1A2
SCHEMBL21246887 0.80 PRMT1 (0.44) ADRB3ADRB2ADRB1HTR2ASIGMAR1
SCHEMBL7296138 0.79 ADRB3 (0.78) ADRB3ADRB2ADRB1
SCHEMBL17946159 0.78 ADRB3 (0.67) ADRB3ADRB2ADRB1LMNAABCB1
SCHEMBL7412887 0.78 ADRB2 (0.51) ADRB3ADRB2ADRB1LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299279-B Substituted arylaminol compounds, methods of making, and uses thereof 北京梅尔森医药技术开发有限公司 2021-03-23 CN claimed
CN-108299279-B Substituted arylaminol compounds, methods of making, and uses thereof 北京梅尔森医药技术开发有限公司 2021-03-23 CN disclosed